The C2DB should also be useful as a platform for establishing parametrisations of computationally less expensive methods such as tight-binding models[1]} and \(\mathbf {k}\cdot \mathbf {p}\)  perturbation theory[2]}. Such methods are required e.g. for device modeling, description of magnetic field effects, and van der Waals heterostructures. The database already provides band structures, spin orbit-induced band splittings, and effective masses, which can be directly used to determine model parameters. It would be straightforward to complement these with momentum matrix elements at band extrema for modeling of optical properties and construction of full \(\mathbf {k}\cdot \mathbf {p}\)  Hamiltonians. Similarly, the spread functional required as input for the construction of Wannier functions e.g. by the ASE[3]} or the Wannier90[4]} packages, could be easily and systematically produced. This would enable direct construction of minimal basis set Hamiltonians and would allow for the calculation of Born charges and piezoelectric coefficients as well as certain topological invariants[5]}. A workflow to calculate exchange couplings of magnetic 2D materials is currently being developed with the aim of predicting magnetic phase transitions and critical temperatures.
